Geometry & MOs

Info

ID:	188394
PubChem CID:	77710031
Reduced:	ON3C20H28 (2)
Stoich.:	AB3C20D28 (2)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-15.33
Dipole, Da:	7.69
IP(EA), eV:	-7.64(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxopropan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCC1C2(C(=C(C(N2)(C=C3C=CC(=N3)C=C4C=CC(=CC5=NC1(C(=C5CC)C(C)C(=O)NC)C(C)C(=O)NC)N4)CC)CC)CC)CC

DOS

IR

Vibrations