Geometry & MOs

Info

ID:	195886
PubChem CID:	78745781
Reduced:	SO2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	384.132136
ΔH_f, kcal/mol:	-28.71
Dipole, Da:	7.0
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 3-(3-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(NC(=S)N1)C2=C(N(C(=C2)C#N)C)C)C(=O)OC

DOS

IR

Vibrations