Geometry & MOs

Info

ID:	122786
PubChem CID:	50821363
Reduced:	ClO2N6C26H27 (1)
Stoich.:	AB2C6D26E27 (1)
Weight, g/mol:	376.124549
ΔH_f, kcal/mol:	47.56
Dipole, Da:	5.62
IP(EA), eV:	-9.01(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-(benzylcarbamoyl)cyclopropyl]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)C)N3C=C(C(=N3)C)C(=O)N4CCN(CC4)C5=C(C=CC(=C5)Cl)C

DOS

IR

Vibrations