Geometry & MOs

Info

ID:	335974
PubChem CID:	127254981
Reduced:	N3O3C29H41 (1)
Stoich.:	A3B3C29D41 (1)
Weight, g/mol:	374.070321
ΔH_f, kcal/mol:	-162.6
Dipole, Da:	4.28
IP(EA), eV:	-8.11(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-chloro-3-(1,1-dioxothiazinan-2-yl)benzoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)[C@H](CC4=CN(C5=CC=CC=C54)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations