Geometry & MOs

Info

ID:	159079
PubChem CID:	57260127
Reduced:	SO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	261.059028
ΔH_f, kcal/mol:	-48.43
Dipole, Da:	1.21
IP(EA), eV:	-8.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-1-[(2-methylpropan-2-yl)oxy]-2-thiophen-3-ylethyl]formamide

Drug info:

PubChemData

Smile

CCC1=NC2=C(N1CC3=CC=C(S3)C4(CCCCC4)OC=O)N=C(C=C2C)C

DOS

IR

Vibrations