Geometry & MOs

Info

ID:	88834
PubChem CID:	49957172
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	375.198048
ΔH_f, kcal/mol:	-84.52
Dipole, Da:	9.56
IP(EA), eV:	-8.79(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(hexanoylamino)phenyl]carbamothioyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCCC3

DOS

IR

Vibrations