Geometry & MOs

Info

ID:	297250
PubChem CID:	117614162
Reduced:	O2N3C26H31 (1)
Stoich.:	A2B3C26D31 (1)
Weight, g/mol:	559.302177
ΔH_f, kcal/mol:	-18.42
Dipole, Da:	8.49
IP(EA), eV:	-7.98(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2R)-2-[4-[cyclohexyl-(4,4,4-trifluoro-2-methylbutyl)amino]-3-[(4-methylphenyl)carbamoylamino]phenyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCN(CCCC)C1=CC=C(C=C1)N=C2C=C(C(=O)C3=CC=CC=C32)C(=O)NC

DOS

IR

Vibrations