Geometry & MOs

Info

ID:	138721
PubChem CID:	52415909
Reduced:	ClO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	376.247441
ΔH_f, kcal/mol:	-40.18
Dipole, Da:	1.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.007056
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoylamino]propanamide

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)N[C@@H]3CCOC4=C3C=CC=C4Cl

DOS

IR

Vibrations