Geometry & MOs

Info

ID:	201094
PubChem CID:	79488939
Reduced:	SN2O3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	-70.61
Dipole, Da:	5.27
IP(EA), eV:	-9.2(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]pyrrol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(CC1=CC=CS1)N(C)C(=O)C2=NC(=CC=C2)C(=O)O

DOS

IR

Vibrations