Geometry & MOs

Info

ID:	311143
PubChem CID:	126589612
Reduced:	FIN2O4C22H24 (1)
Stoich.:	ABC2D4E22F24 (1)
Weight, g/mol:	335.159354
ΔH_f, kcal/mol:	-164.53
Dipole, Da:	8.38
IP(EA), eV:	-9.48(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

C/C=C(\CCI)/C1=C(N=C(C(=C1)C)C2=CC3=C(COC(=O)C3O)C(=O)N2C)CCF

DOS

IR

Vibrations