Geometry & MOs

Info

ID:	366803
PubChem CID:	127320340
Reduced:	NSO3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	-142.83
Dipole, Da:	4.14
IP(EA), eV:	-9.42(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]methyl]-3-phenylurea

Drug info:

PubChemData

Smile

CC1CCC(CC1)N(C)S(=O)(=O)C2CCOC2

DOS

IR

Vibrations