Geometry & MOs

Info

ID:	125505
PubChem CID:	50927460
Reduced:	SN4O4C22H26 (1)
Stoich.:	AB4C4D22E26 (1)
Weight, g/mol:	378.208947
ΔH_f, kcal/mol:	-133.7
Dipole, Da:	4.07
IP(EA), eV:	-8.92(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-methyl-2-[[6-methyl-3-(3-methylbutyl)-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3C(=O)OC)CCC(C)C

DOS

IR

Vibrations