Geometry & MOs

Info

ID:	171309
PubChem CID:	75356665
Reduced:	N4O5C21H28 (1)
Stoich.:	A4B5C21D28 (1)
Weight, g/mol:	370.109962
ΔH_f, kcal/mol:	-207.16
Dipole, Da:	2.52
IP(EA), eV:	-9.54(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)CCC2C(=O)N(C(=O)N2)CCC3=CC=CC=C3

DOS

IR

Vibrations