Geometry & MOs

Info

ID:	339808
PubChem CID:	127261817
Reduced:	PN4O6C10H21 (1)
Stoich.:	AB4C6D10E21 (1)
Weight, g/mol:	303.121906
ΔH_f, kcal/mol:	-335.3
Dipole, Da:	6.81
IP(EA), eV:	-9.77(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-aminoacetyl)-(4-methyl-2-oxochromen-7-yl)amino]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N([C@@H](C)C(=O)N)[C@H](C)P(=O)(O)O)NC(=O)CN

DOS

IR

Vibrations