Geometry & MOs

Info

ID:	157710
PubChem CID:	56436644
Reduced:	O3N5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	455.235497
ΔH_f, kcal/mol:	-98.85
Dipole, Da:	9.75
IP(EA), eV:	-8.91(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-[[(2-methyl-4-thiomorpholin-4-ylphenyl)carbamoylamino]methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CC(=CC=C2)C(=O)NCCN(C)C

DOS

IR

Vibrations