Geometry & MOs

Info

ID:	350016
PubChem CID:	127276889
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-58.96
Dipole, Da:	3.8
IP(EA), eV:	-8.72(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(benzenesulfonyl)pyrrolidin-2-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)C(=O)C3CC(=O)N(C3)C

DOS

IR

Vibrations