Geometry & MOs

Info

ID:	49265
PubChem CID:	11532414
Reduced:	O2N8C23H26 (1)
Stoich.:	A2B8C23D26 (1)
Weight, g/mol:	448.006675
ΔH_f, kcal/mol:	18.41
Dipole, Da:	5.93
IP(EA), eV:	-8.38(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-chloro-2-(4-nitrophenyl)-4-oxoazetidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@@H](CO)NC1=NC=C(C=C1)C2=CC(=C3C(=C2)NC(=N3)NC(=O)NCC)C4=NC=CC=N4

DOS

IR

Vibrations