Geometry & MOs

Info

ID:	67704
PubChem CID:	46507007
Reduced:	S2O3N4C25H30 (1)
Stoich.:	A2B3C4D25E30 (1)
Weight, g/mol:	484.160283
ΔH_f, kcal/mol:	-63.74
Dipole, Da:	5.57
IP(EA), eV:	-8.75(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations