Geometry & MOs

Info

ID:	408475
PubChem CID:	135081241
Reduced:	NO6C25H35 (1)
Stoich.:	AB6C25D35 (1)
Weight, g/mol:	387.204573
ΔH_f, kcal/mol:	-191.11
Dipole, Da:	6.69
IP(EA), eV:	-8.04(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5-[(E)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ylidenemethyl]-6-hydroxy-3,4-dioxocyclohexa-1,5-dien-1-yl]amino]-3-methylbutanoic acid

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

C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C(=CC(=O)C3=O)N[C@H](C(C)O)C(=O)O)O)CCC=C2C)C

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

C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C(=CC(=O)C3=O)N[C@H](C(C)O)C(=O)O)O)CCC=C2C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):