Geometry & MOs

Info

ID:	32996
PubChem CID:	7850013
Reduced:	SN2O3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	10.22
IP(EA), eV:	-9.22(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dimethyl-5-[(2R)-2-[(E)-3-(2-methylphenyl)prop-2-enoyl]oxypropanoyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC2=C(C=C(C=C2C)SC#N)C

DOS

IR

Vibrations