Geometry & MOs

Info

ID:	261866
PubChem CID:	103255813
Reduced:	SN2O3H8C9 (1)
Stoich.:	AB2C3D8E9 (1)
Weight, g/mol:	208.121178
ΔH_f, kcal/mol:	-22.62
Dipole, Da:	4.47
IP(EA), eV:	-8.66(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-[(2,5-dimethylpyrrol-1-yl)amino]-3-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

C1=CSC=C1NCC2=CC(=NO2)C(=O)O

DOS

IR

Vibrations