Geometry & MOs

Info

ID:	222034
PubChem CID:	85293531
Reduced:	N3O6C26H33 (1)
Stoich.:	A3B6C26D33 (1)
Weight, g/mol:	483.240959
ΔH_f, kcal/mol:	-243.25
Dipole, Da:	4.77
IP(EA), eV:	-9.65(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[cyclohexanecarbonyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C)C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations