Geometry & MOs

Info

ID:	180156
PubChem CID:	76586275
Reduced:	N8O11C53H68 (1)
Stoich.:	A8B11C53D68 (1)
Weight, g/mol:	309.157623
ΔH_f, kcal/mol:	-311.8
Dipole, Da:	5.71
IP(EA), eV:	-8.04(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hex-3-enoyl(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate

Drug info:

PubChemData

Smile

CCC(C=O)OC(C=NNC(=O)C1(C2C3(CCN4C3C(C1O)(C=CC4)CC)C5=CC(=C(C=C5N2C)OC)C6(CC7CC(CN(C7)CCC8=C6NC9=CC=CC=C89)(CC)O)OC(=O)C)O)N1CCC(=O)NC1=O

DOS

IR

Vibrations