Geometry & MOs

Info

ID:	16709
PubChem CID:	475625
Reduced:	ClSN2O2C17H23 (1)
Stoich.:	ABC2D2E17F23 (1)
Weight, g/mol:	354.116877
ΔH_f, kcal/mol:	-88.7
Dipole, Da:	3.53
IP(EA), eV:	-8.86(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-chloro-3-propan-2-yl-2-sulfanyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1C(=NC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)Cl)S

DOS

IR

Vibrations