Geometry & MOs

Info

ID:	134742
PubChem CID:	51749042
Reduced:	N2O5C25H26 (1)
Stoich.:	A2B5C25D26 (1)
Weight, g/mol:	462.213027
ΔH_f, kcal/mol:	-127.14
Dipole, Da:	3.19
IP(EA), eV:	-8.78(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]-N-(furan-2-ylmethyl)-3-methylbut-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H](C1=CC2=C(C=C1)OCO2)N(CC3=CC=CO3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations