Geometry & MOs

Info

ID:	315068
PubChem CID:	126624317
Reduced:	N2O5C48H91 (1)
Stoich.:	A2B5C48D91 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-336.78
Dipole, Da:	5.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751107
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(cyclohexylamino)-3-[[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)OCCN(C(=O)CC[N+](CCC)(C)C)CCOC(=O)CCCCCCC/C=C\CCCCCCCC

DOS

IR

Vibrations