Geometry & MOs

Info

ID:	46502
PubChem CID:	10524808
Reduced:	SO3N4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-35.83
Dipole, Da:	6.08
IP(EA), eV:	-8.88(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methylamino]-6-oxohexanoate

Drug info:

PubChemData

Smile

CC1C(=O)N(C(S1)C2=CC(=CC=C2)O)NC(=O)CN3C(=NC4=CC=CC=C43)C

DOS

IR

Vibrations