Geometry & MOs

Info

ID:	67426
PubChem CID:	46506457
Reduced:	S2N4O4C31H36 (1)
Stoich.:	A2B4C4D31E36 (1)
Weight, g/mol:	578.202148
ΔH_f, kcal/mol:	-131.5
Dipole, Da:	6.18
IP(EA), eV:	-8.36(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC(=CC=C1)OC)SC2=NC3=C(C(=O)N2CCCC(=O)NC4CCCCC4)SC5=CC=CC=C53

DOS

IR

Vibrations