Geometry & MOs

Info

ID:	60215
PubChem CID:	26675915
Reduced:	N2S2O7C21H24 (1)
Stoich.:	A2B2C7D21E24 (1)
Weight, g/mol:	498.146072
ΔH_f, kcal/mol:	-256.14
Dipole, Da:	9.57
IP(EA), eV:	-9.16(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-(4-methoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations