Geometry & MOs

Info

ID:	62939
PubChem CID:	26737711
Reduced:	SN4O5C25H28 (1)
Stoich.:	AB4C5D25E28 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-115.43
Dipole, Da:	8.6
IP(EA), eV:	-9.19(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2R)-butan-2-yl]phenyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

DOS

IR

Vibrations