Geometry & MOs

Info

ID:	435142
PubChem CID:	135181790
Reduced:	O4N5C28H35 (1)
Stoich.:	A4B5C28D35 (1)
Weight, g/mol:	372.161997
ΔH_f, kcal/mol:	-117.6
Dipole, Da:	5.0
IP(EA), eV:	-9.46(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(6-tert-butylpyridin-3-yl)-2-formyl-3-[[5-(hydroxymethyl)-3-methyl-1,3-thiazinan-2-ylidene]amino]prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(C)CCC1(C(=O)N(C(=N1)N)CC2=CC(=CC=C2)C(=O)N3CCN(CC3)C(=O)OC)C4=CC=CC=C4

DOS

IR

Vibrations