Geometry & MOs

Info

ID:	316118
PubChem CID:	126630112
Reduced:	N5O5C30H41 (1)
Stoich.:	A5B5C30D41 (1)
Weight, g/mol:	667.238389
ΔH_f, kcal/mol:	-204.95
Dipole, Da:	4.63
IP(EA), eV:	-8.95(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[6-[(4-chlorophenyl)-(4-methylphenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]sulfonyl-N-propylbenzamide

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]1CCCC2=NC=C3C=CC(=CC3=C2)[C@H](OC(=O)C4CCCN(N4)C(=O)C(NC(=O)[C@@H](NC1=O)C(C)C)C)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]1CCCC2=NC=C3C=CC(=CC3=C2)[C@H](OC(=O)C4CCCN(N4)C(=O)C(NC(=O)[C@@H](NC1=O)C(C)C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):