Geometry & MOs

Info

ID:	161087
PubChem CID:	57390726
Reduced:	N7O12C40H45 (1)
Stoich.:	A7B12C40D45 (1)
Weight, g/mol:	281.105193
ΔH_f, kcal/mol:	-458.67
Dipole, Da:	9.17
IP(EA), eV:	-9.26(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-methyl-2-oxobenzo[h]chromene-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(=O)O)NC(=O)CN

DOS

IR

Vibrations