Geometry & MOs

Info

ID:	431729
PubChem CID:	135171832
Reduced:	NOC16H31 (1)
Stoich.:	ABC16D31 (1)
Weight, g/mol:	491.281778
ΔH_f, kcal/mol:	-68.62
Dipole, Da:	1.49
IP(EA), eV:	-8.25(1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[(2-methoxyacetyl)carbamothioylamino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCC(CC1)OC)C(C)CC=C

DOS

IR

Vibrations