Geometry & MOs

Info

ID:	445878
PubChem CID:	135269856
Reduced:	SC4N4H10 (1)
Stoich.:	AB4C4D10 (1)
Weight, g/mol:	461.24269
ΔH_f, kcal/mol:	35.11
Dipole, Da:	2.49
IP(EA), eV:	-8.43(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(1,3-benzoxazol-2-yl)-2-[[(4E,6E)-8-(1,4-diazepan-1-yl)-4,7-dimethyl-8-oxoocta-1,4,6-trien-3-ylidene]amino]but-2-enamide

Drug info:

PubChemData

Smile

CNC1=NN(C(S1)N)C

DOS

IR

Vibrations