Geometry & MOs

Info

ID:	361364
PubChem CID:	127302683
Reduced:	SN4O5C17H22 (1)
Stoich.:	AB4C5D17E22 (1)
Weight, g/mol:	394.192629
ΔH_f, kcal/mol:	-194.99
Dipole, Da:	4.19
IP(EA), eV:	-9.3(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(oxan-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCC(=O)NC3=O

DOS

IR

Vibrations