Geometry & MOs

Info

ID:	243752
PubChem CID:	99234594
Reduced:	N4O4C25H38 (1)
Stoich.:	A4B4C25D38 (1)
Weight, g/mol:	443.184506
ΔH_f, kcal/mol:	-166.8
Dipole, Da:	7.15
IP(EA), eV:	-8.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylbenzoyl)amino]-N-[3-(morpholine-4-carbonyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1[C@H](C)COC)C)/C=C(/C#N)\C(=O)N2CCC[C@H](C2)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations