Geometry & MOs

Info

ID:	57630
PubChem CID:	22428062
Reduced:	ClSN4O5H25C26 (1)
Stoich.:	ABC4D5E25F26 (1)
Weight, g/mol:	546.193691
ΔH_f, kcal/mol:	-152.38
Dipole, Da:	4.81
IP(EA), eV:	-8.45(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations