Geometry & MOs

Info

ID:	306668
PubChem CID:	125165245
Reduced:	SO2N4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-31.14
Dipole, Da:	3.97
IP(EA), eV:	-8.74(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C=C(C=N2)CN(C)C(=O)[C@H]3CSC(C(=O)N3)(C)C

DOS

IR

Vibrations