Geometry & MOs

Info

ID:	44224
PubChem CID:	10502073
Reduced:	NO2C7H9 (3)
Stoich.:	AB2C7D9 (3)
Weight, g/mol:	417.227709
ΔH_f, kcal/mol:	-169.09
Dipole, Da:	8.97
IP(EA), eV:	-8.91(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[5-[[N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-cyanocarbamimidoyl]amino]pyridin-2-yl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1[N+](=O)[O-])OCC2=CC=CC=C2)N)CO

DOS

IR

Vibrations