Geometry & MOs

Info

ID:	67713
PubChem CID:	46507023
Reduced:	O2S2N3C24H29 (1)
Stoich.:	A2B2C3D24E29 (1)
Weight, g/mol:	475.115497
ΔH_f, kcal/mol:	-28.28
Dipole, Da:	4.53
IP(EA), eV:	-9.16(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CSC2=NC3(CCN(CC3)C(=O)OC(C)(C)C)N=C2C4=CC=CS4

DOS

IR

Vibrations