Geometry & MOs

Info

ID:	440801
PubChem CID:	135231514
Reduced:	ON5C11H17 (1)
Stoich.:	AB5C11D17 (1)
Weight, g/mol:	466.174871
ΔH_f, kcal/mol:	39.1
Dipole, Da:	2.21
IP(EA), eV:	-8.01(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6S)-6-(cyclopropylmethyl)-3,6-dimethyl-3-[(3Z)-4-(3-methyl-5-prop-1-ynyl-1-benzothiophen-2-yl)buta-1,3-dien-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

CC(C)N=NNC1=C(C=CC(=C1)OC)N=CN

DOS

IR

Vibrations