Geometry & MOs

Info

ID:	122385
PubChem CID:	50804237
Reduced:	SN4O4C25H26 (1)
Stoich.:	AB4C4D25E26 (1)
Weight, g/mol:	476.188212
ΔH_f, kcal/mol:	-42.91
Dipole, Da:	5.2
IP(EA), eV:	-8.0(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-[2-(3-methylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CSC2=CC(=NC3=C(C=NN23)C4=CC(=C(C=C4)OC)OC)C

DOS

IR

Vibrations