Geometry & MOs

Info

ID:	188534
PubChem CID:	77729180
Reduced:	FN4O4C20H27 (1)
Stoich.:	AB4C4D20E27 (1)
Weight, g/mol:	442.210387
ΔH_f, kcal/mol:	-196.62
Dipole, Da:	5.01
IP(EA), eV:	-9.68(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-oxo-3-phenylmethoxypropyl)amino]-3-(phenylmethoxycarbonylamino)hexanoic acid

Drug info:

PubChemData

Smile

CC(CC1NC(C(C(=O)N1)O)C(=O)NCC2=CC=C(C=C2)F)N3CCC(=O)CC3

DOS

IR

Vibrations