Geometry & MOs

Info

ID:	79514
PubChem CID:	49811844
Reduced:	SN3O3H21C23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-60.2
Dipole, Da:	1.53
IP(EA), eV:	-8.99(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-ethyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NCC4=CC=CC=C4)C

DOS

IR

Vibrations