Geometry & MOs

Info

ID:	308392
PubChem CID:	125326865
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	506.195405
ΔH_f, kcal/mol:	-112.16
Dipole, Da:	7.35
IP(EA), eV:	-8.94(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,3aR,6aS)-5-(3-methoxyphenyl)-1-propan-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)C(=O)NC1=CC2=C(C=C1)[C@H](C=N2)[C@H](C(=O)O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)C(=O)NC1=CC2=C(C=C1)[C@H](C=N2)[C@H](C(=O)O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):