Geometry & MOs

Info

ID:	152797
PubChem CID:	56311868
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	354.176585
ΔH_f, kcal/mol:	-66.04
Dipole, Da:	6.4
IP(EA), eV:	-8.94(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropylmethyl(1-phenylethyl)amino]-N-(3-methylsulfanylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC3CC3)C(C)C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations