Geometry & MOs

Info

ID:	185325
PubChem CID:	77285664
Reduced:	N3O3C21H29 (2)
Stoich.:	A3B3C21D29 (2)
Weight, g/mol:	482.256943
ΔH_f, kcal/mol:	-255.75
Dipole, Da:	7.31
IP(EA), eV:	-9.24(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(3-cyano-4-phenylphenyl)methyl-pentanoylamino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CN2CCN(C2=O)C(C(=O)NC(CC3=CC=CC=C3)CC(C(CC4=CC=CC=C4)NC(=O)C(C(C)(C)C)N(C)C(=O)O)O)C(C)(C)C

DOS

IR

Vibrations