Geometry & MOs

Info

ID:	445194
PubChem CID:	135264857
Reduced:	S2N4O4C27H28 (1)
Stoich.:	A2B4C4D27E28 (1)
Weight, g/mol:	495.182792
ΔH_f, kcal/mol:	-89.8
Dipole, Da:	5.1
IP(EA), eV:	-8.86(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)NC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)N(C)C3=CC4=C(C=C3)SC(=N4)C

DOS

IR

Vibrations