Geometry & MOs

Info

ID:	351063
PubChem CID:	127279500
Reduced:	SN3O5C17H25 (1)
Stoich.:	AB3C5D17E25 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-184.29
Dipole, Da:	9.78
IP(EA), eV:	-8.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCCO3

DOS

IR

Vibrations