Geometry & MOs

Info

ID:	405208
PubChem CID:	135073039
Reduced:	SN2O3H18C23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	395.18616
ΔH_f, kcal/mol:	6.8
Dipole, Da:	5.09
IP(EA), eV:	-9.66(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(E)-2-cyclohexyl-1-diethoxyphosphorylethenyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)/C=C(/C2=CC=CC=C2)\C3=CC=C(C=C3)[N+]#[C-]

DOS

IR

Vibrations