Geometry & MOs

Info

ID:	61155
PubChem CID:	26706152
Reduced:	N3O4H21C24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	459.182792
ΔH_f, kcal/mol:	-38.2
Dipole, Da:	9.88
IP(EA), eV:	-9.26(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OC(=O)/C=C/C3=CN(N=N3)CC4=CC=CC=C4

DOS

IR

Vibrations