Geometry & MOs

Info

ID:	245209
PubChem CID:	99437890
Reduced:	FO3N6H23C27 (1)
Stoich.:	AB3C6D23E27 (1)
Weight, g/mol:	435.161663
ΔH_f, kcal/mol:	-47.78
Dipole, Da:	1.62
IP(EA), eV:	-8.94(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)sulfanyl-N-[[3-(phenylcarbamoylamino)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)CNC(=O)C3=NC=CN=C3C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations