Geometry & MOs

Info

ID:	404434
PubChem CID:	135066291
Reduced:	S2N3O5H19C21 (1)
Stoich.:	A2B3C5D19E21 (1)
Weight, g/mol:	458.166414
ΔH_f, kcal/mol:	-114.48
Dipole, Da:	5.15
IP(EA), eV:	-8.84(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-benzyl-3-[(4-methylphenyl)sulfonylamino]-3-naphthalen-1-ylpropanamide

Drug info:

PubChemData

Smile

C1COC(=O)N1C(=O)[C@H]2[C@@H](N(C(=S)N2)S(=O)(=O)C3=CC=CC=C3)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations