Geometry & MOs

Info

ID:	440842
PubChem CID:	135231815
Reduced:	NSC9H19 (1)
Stoich.:	ABC9D19 (1)
Weight, g/mol:	457.174536
ΔH_f, kcal/mol:	-24.44
Dipole, Da:	1.01
IP(EA), eV:	-8.38(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-[[(R)-tert-butylsulfinyl]amino]-3-methyl-4-methylidene-6-(3-methyl-5-prop-1-ynyl-1-benzothiophen-2-yl)hex-5-enoate

Drug info:

PubChemData

Smile

CCC1CCC(N(C1)SC)C

DOS

IR

Vibrations