Geometry & MOs

Info

ID:	195905
PubChem CID:	78747402
Reduced:	S2N3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	53.33
Dipole, Da:	4.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.032962
Charge, e:	0

Chem-info

IUPAC name:

[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=S)NCC(C2=CC=CS2)[NH+]3CCCC3)C

DOS

IR

Vibrations