Geometry & MOs

Info

ID:	56547
PubChem CID:	17436224
Reduced:	S2N3O3C16H21 (1)
Stoich.:	A2B3C3D16E21 (1)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	-84.09
Dipole, Da:	6.96
IP(EA), eV:	-8.38(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2,4-dimethyl-5-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)N(C)S(=O)(=O)C

DOS

IR

Vibrations