Geometry & MOs

Info

ID:	158846
PubChem CID:	57244071
Reduced:	ClNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	445.294057
ΔH_f, kcal/mol:	-33.94
Dipole, Da:	3.27
IP(EA), eV:	-8.6(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[tert-butylcarbamoyl(3-methylbutyl)amino]-3-(cyclopropanecarbonylamino)-4-phenylbutan-2-yl] formate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C(=CON2C(C)(C)OC)Cl

DOS

IR

Vibrations