Geometry & MOs

Info

ID:	218317
PubChem CID:	85089165
Reduced:	O2N5C26H33 (1)
Stoich.:	A2B5C26D33 (1)
Weight, g/mol:	447.309707
ΔH_f, kcal/mol:	-1.04
Dipole, Da:	5.36
IP(EA), eV:	-9.1(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[[2-(butylcarbamoyl)cyclopentyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)CN(CC1=CC=C(C=C1)C=CCN2CCC(CC2)C(=O)O)C3=NC(=NC=C3)C#N

DOS

IR

Vibrations