Geometry & MOs

Info

ID:	88789
PubChem CID:	49956836
Reduced:	SN3O3C25H31 (1)
Stoich.:	AB3C3D25E31 (1)
Weight, g/mol:	492.273656
ΔH_f, kcal/mol:	-94.19
Dipole, Da:	8.26
IP(EA), eV:	-8.85(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,4-N-bis[4-(propan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCCCCC3

DOS

IR

Vibrations