Geometry & MOs

Info

ID:	340145
PubChem CID:	127262154
Reduced:	IO3N4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	418.165248
ΔH_f, kcal/mol:	-100.88
Dipole, Da:	6.44
IP(EA), eV:	-9.17(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]-[2-(4-fluoro-3-nitrophenyl)ethyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(CC1=CC=C(C=C1)I)[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@H](CC(C)C)N

DOS

IR

Vibrations