Geometry & MOs

Info

ID:	339957
PubChem CID:	127261966
Reduced:	IO3N4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-70.81
Dipole, Da:	4.87
IP(EA), eV:	-9.05(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-aminoacetyl)-(4-methyl-2-oxochromen-7-yl)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)CN

DOS

IR

Vibrations