Geometry & MOs

Info

ID:	147311
PubChem CID:	53786967
Reduced:	PO4C25H29 (1)
Stoich.:	AB4C25D29 (1)
Weight, g/mol:	410.168068
ΔH_f, kcal/mol:	-131.43
Dipole, Da:	2.97
IP(EA), eV:	-7.81(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(cyclohexylmethyl)-4-(2-ethoxyphenyl)sulfanyl-3-phosphorosobutanoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C2=C(C(=C(C=C2)OP(=O)(O)O)C(C)C)C3=C(C=CC=C3C)C

DOS

IR

Vibrations