Geometry & MOs

Info

ID:	31985
PubChem CID:	3727032
Reduced:	NS2O5H15C21 (1)
Stoich.:	AB2C5D15E21 (1)
Weight, g/mol:	465.215138
ΔH_f, kcal/mol:	-130.56
Dipole, Da:	3.43
IP(EA), eV:	-9.11(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-butyl-7-methyl-2-oxochromen-5-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=C(C4C(C(S3)C(=O)O)C(=O)OC5=CC=CC=C45)SC2=O

DOS

IR

Vibrations