Geometry & MOs

Info

ID:	381830
PubChem CID:	134972671
Reduced:	NSO3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	437.256609
ΔH_f, kcal/mol:	-63.16
Dipole, Da:	5.95
IP(EA), eV:	-8.44(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)CC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations