Geometry & MOs

Info

ID:	133688
PubChem CID:	51575003
Reduced:	NSO3C21H21 (1)
Stoich.:	ABC3D21E21 (1)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	-78.35
Dipole, Da:	2.79
IP(EA), eV:	-8.92(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dimethyl-5-[[(1S)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N[C@@H](C)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations