Geometry & MOs

Info

ID:	174782
PubChem CID:	75813565
Reduced:	OSN3C15H28 (1)
Stoich.:	ABC3D15E28 (1)
Weight, g/mol:	359.148121
ΔH_f, kcal/mol:	-27.4
Dipole, Da:	6.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753183
Charge, e:	0

Chem-info

IUPAC name:

1-(oxolan-3-ylmethyl)-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea

Drug info:

PubChemData

Smile

CC1CC(C[NH+](C1)CCCCNC(=O)CSCC#N)C

DOS

IR

Vibrations