Geometry & MOs

Info

ID:	189464
PubChem CID:	77861424
Reduced:	SN3O8H13C15 (1)
Stoich.:	AB3C8D13E15 (1)
Weight, g/mol:	476.217203
ΔH_f, kcal/mol:	-248.18
Dipole, Da:	2.89
IP(EA), eV:	-9.84(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(7-hydroxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-7-methylidene-2-oxo-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NC2C(N(C2=O)S(=O)(=O)O)N3C(=O)C=CC3=O

DOS

IR

Vibrations