Geometry & MOs

Info

ID:	188250
PubChem CID:	77689423
Reduced:	NaSN2O5C15H16 (1)
Stoich.:	ABC2D5E15F16 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-223.5
Dipole, Da:	6.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.932133
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(7-hydroxynaphthalene-2-carbonyl)amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate

Drug info:

PubChemData

Smile

CC(C1C2CC(=C(N2C1=O)C(=O)O)C3=CSC(=C3)C(=O)NC)O.[Na]

DOS

IR

Vibrations