Geometry & MOs

Info

ID:	199647
PubChem CID:	79276881
Reduced:	SO2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-67.13
Dipole, Da:	5.82
IP(EA), eV:	-9.15(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methoxyphenyl)methylcarbamoyl-prop-2-enylamino]acetic acid

Drug info:

PubChemData

Smile

CC1=C2C(=NC=C1)N(C(=N2)SCC(=O)O)C(C)CC(C)C

DOS

IR

Vibrations