Geometry & MOs

Info

ID:	143377
PubChem CID:	53199305
Reduced:	SO4N5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	401.115775
ΔH_f, kcal/mol:	-81.5
Dipole, Da:	5.2
IP(EA), eV:	-8.34(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-[8-(2-methylpropyl)-7,12-dioxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-trien-11-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)N3C4=C(C(=O)N(C3=N2)CC(C)C)SC=C4

DOS

IR

Vibrations