Geometry & MOs

Info

ID:	175970
PubChem CID:	75976595
Reduced:	ClO3N5C18H24 (1)
Stoich.:	AB3C5D18E24 (1)
Weight, g/mol:	358.111791
ΔH_f, kcal/mol:	-115.64
Dipole, Da:	5.85
IP(EA), eV:	-9.63(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-chloropropyl)phenyl]sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)CN1C(=O)C2CNC(NC2N(C1=O)C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations