Geometry & MOs

Info

ID:	345286
PubChem CID:	127269520
Reduced:	SN4O4C18H26 (1)
Stoich.:	AB4C4D18E26 (1)
Weight, g/mol:	394.167477
ΔH_f, kcal/mol:	-166.78
Dipole, Da:	7.14
IP(EA), eV:	-9.29(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxopiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3CCCNC3=O

DOS

IR

Vibrations