Geometry & MOs

Info

ID:	156636
PubChem CID:	56371466
Reduced:	BrSO2N3C23H28 (1)
Stoich.:	ABC2D3E23F28 (1)
Weight, g/mol:	419.257277
ΔH_f, kcal/mol:	-63.88
Dipole, Da:	5.46
IP(EA), eV:	-8.21(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C(C)SC3=CC=C(C=C3)Br

DOS

IR

Vibrations