Geometry & MOs

Info

ID:	36072
PubChem CID:	7980727
Reduced:	SN2O3H16C21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	379.141973
ΔH_f, kcal/mol:	-28.87
Dipole, Da:	9.37
IP(EA), eV:	-9.14(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dimethyl-5-[(2R)-2-(naphthalene-2-carbonyloxy)propanoyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations