Geometry & MOs

Info

ID:	15085
PubChem CID:	429088
Reduced:	NO3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	438.179087
ΔH_f, kcal/mol:	-206.8
Dipole, Da:	5.66
IP(EA), eV:	-9.49(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-2-oxochromen-7-yl) 6-amino-2-(phenylmethoxycarbonylamino)hexanoate

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(CCCCN)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations