Geometry & MOs

Info

ID:	382230
PubChem CID:	134973238
Reduced:	PN3O3H12C13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	356.144616
ΔH_f, kcal/mol:	-76.48
Dipole, Da:	4.05
IP(EA), eV:	-9.4(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-butylsulfanyl-2-[hydroxy-(2-phenylphenyl)methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2

DOS

IR

Vibrations