Geometry & MOs

Info

ID:	137926
PubChem CID:	52284276
Reduced:	SN2O3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	415.210721
ΔH_f, kcal/mol:	-75.25
Dipole, Da:	7.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.924862
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-methyl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC3=CC=CC=C3OC

DOS

IR

Vibrations