Geometry & MOs

Info

ID:	335693
PubChem CID:	127254555
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	445.12269
ΔH_f, kcal/mol:	-86.15
Dipole, Da:	3.94
IP(EA), eV:	-8.91(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[2-(1-methylindol-3-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2N1CC(C)C)NC(=O)CC[C@H]3C(=O)NC4=CC=CC=C4C(=O)N3

DOS

IR

Vibrations