Geometry & MOs

Info

ID:	33749
PubChem CID:	7887935
Reduced:	S2N3O3H17C19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	386.032975
ΔH_f, kcal/mol:	19.03
Dipole, Da:	4.04
IP(EA), eV:	-8.74(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)CSC2=NC(=NC3=C2C4=C(S3)CCC4)C)[N+](=O)[O-]

DOS

IR

Vibrations