Geometry & MOs

Info

ID:	245422
PubChem CID:	99444555
Reduced:	NO3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	360.187149
ΔH_f, kcal/mol:	-79.78
Dipole, Da:	6.34
IP(EA), eV:	-9.12(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[cyclohexyl(cyclopropyl)amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN(C1CCCC1)C(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations