Geometry & MOs

Info

ID:	67711
PubChem CID:	46507015
Reduced:	ClO3S3N4H21C23 (1)
Stoich.:	AB3C3D4E21F23 (1)
Weight, g/mol:	514.170848
ΔH_f, kcal/mol:	-37.39
Dipole, Da:	4.88
IP(EA), eV:	-8.59(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-thiophen-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)NC4=C(C=CC(=C4)Cl)C)C)SC2=S

DOS

IR

Vibrations