Geometry & MOs

Info

ID:	58971
PubChem CID:	24769973
Reduced:	ClNO3C23H38 (1)
Stoich.:	ABC3D23E38 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-181.37
Dipole, Da:	2.42
IP(EA), eV:	-9.26(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-hydroxyethylcarbamoyl)phenyl]methyl N-[(3Z)-2,5-dimethylhexa-3,5-dien-2-yl]carbamate

Drug info:

PubChemData

Smile

C/C/1=C\CC/C(=C/[C@@H](C[C@](/C=C/[C@@H](CC1)C(C)C)(C)O)OC(=O)NCCCl)/C

DOS

IR

Vibrations