Geometry & MOs

Info

ID:	322950
PubChem CID:	126671636
Reduced:	SN2O5C21H30 (1)
Stoich.:	AB2C5D21E30 (1)
Weight, g/mol:	516.283552
ΔH_f, kcal/mol:	-201.97
Dipole, Da:	2.12
IP(EA), eV:	-9.13(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[2-[[(2E,4R)-1-benzyl-6-ethenyl-2-ethylidene-5-[methyl(prop-1-en-2-yloxy)amino]-3,4-dihydropyridin-4-yl]oxy]ethoxy]ethoxy]ethoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC(=C(C=C2)CNC(=O)OC(C)(C)C)OCCOCCCO

DOS

IR

Vibrations