Geometry & MOs

Info

ID:	67361
PubChem CID:	46506352
Reduced:	SN4O7C29H32 (1)
Stoich.:	AB4C7D29E32 (1)
Weight, g/mol:	496.152889
ΔH_f, kcal/mol:	-221.97
Dipole, Da:	2.67
IP(EA), eV:	-8.23(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-4-[1-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]butanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NCCC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations