Geometry & MOs

Info

ID:	62852
PubChem CID:	26737261
Reduced:	N2O5C22H28 (1)
Stoich.:	A2B5C22D28 (1)
Weight, g/mol:	350.103335
ΔH_f, kcal/mol:	-114.87
Dipole, Da:	3.78
IP(EA), eV:	-8.31(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]\1[C@H](N[C@H](C/C1=N/O)C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations