Geometry & MOs

Info

ID:	355990
PubChem CID:	127290980
Reduced:	SN3O4C11H21 (1)
Stoich.:	AB3C4D11E21 (1)
Weight, g/mol:	297.205242
ΔH_f, kcal/mol:	-184.71
Dipole, Da:	7.41
IP(EA), eV:	-9.28(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(azepan-1-yl)-3-oxopropyl]-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)NCCN2CCCS2(=O)=O

DOS

IR

Vibrations