Geometry & MOs

Info

ID:	62394
PubChem CID:	26719671
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-41.63
Dipole, Da:	6.31
IP(EA), eV:	-8.43(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-4-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C4CCCN4C3=O)C

DOS

IR

Vibrations