Geometry & MOs

Info

ID:	125508
PubChem CID:	50927463
Reduced:	SO2N4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	428.188212
ΔH_f, kcal/mol:	-69.99
Dipole, Da:	5.12
IP(EA), eV:	-8.5(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)-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=C(C=C3)C(C)C)CCC(C)C

DOS

IR

Vibrations