Geometry & MOs

Info

ID:	194355
PubChem CID:	78522640
Reduced:	SN3O6H21C22 (1)
Stoich.:	AB3C6D21E22 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-181.09
Dipole, Da:	5.17
IP(EA), eV:	-8.98(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-3-(furan-2-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

Drug info:

PubChemData

Smile

C1CN(C2C1NC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)CSCC(=O)O

DOS

IR

Vibrations