Geometry & MOs

Info

ID:	327555
PubChem CID:	126690326
Reduced:	SN5O8C31H41 (1)
Stoich.:	AB5C8D31E41 (1)
Weight, g/mol:	392.176979
ΔH_f, kcal/mol:	-259.09
Dipole, Da:	8.59
IP(EA), eV:	-8.98(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-aminophenyl)sulfanyl-[2-(2-methylprop-2-enoyloxy)propyl]amino]propan-2-yl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=C(C1=O)NNC2=CC=C(C=C2)S(=O)(=O)N(CC(C)OC(=O)C(=C)C)CC(C)OC(=O)C(=C)C)C)C#N)O

DOS

IR

Vibrations