Geometry & MOs

Info

ID:	64782
PubChem CID:	29203992
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-82.31
Dipole, Da:	7.71
IP(EA), eV:	-8.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-(butylcarbamoyl)phenyl]carbamate

Drug info:

PubChemData

Smile

CCCCNC(=O)CC1=CSC(=N1)N2CCCC2=O

DOS

IR

Vibrations