Geometry & MOs

Info

ID:	297165
PubChem CID:	117611345
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	448.123898
ΔH_f, kcal/mol:	-121.71
Dipole, Da:	5.44
IP(EA), eV:	-8.78(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(3R)-1-ethenylsulfonylpiperidin-3-yl]-3-methyl-5-oxo-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepine-9-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C=C4N3CCNC4=O

DOS

IR

Vibrations