Geometry & MOs

Info

ID:	370790
PubChem CID:	127340574
Reduced:	SO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	397.182398
ΔH_f, kcal/mol:	-39.03
Dipole, Da:	4.85
IP(EA), eV:	-8.89(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-cyclopentyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4=CSC=C4

DOS

IR

Vibrations