Geometry & MOs

Info

ID:	54415
PubChem CID:	17154167
Reduced:	S2N3O5C20H25 (1)
Stoich.:	A2B3C5D20E25 (1)
Weight, g/mol:	415.189592
ΔH_f, kcal/mol:	-165.14
Dipole, Da:	6.45
IP(EA), eV:	-9.41(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-benzamidopropanoylamino)-N-[(4-methylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations