Geometry & MOs

Info

ID:	58163
PubChem CID:	24424478
Reduced:	S2N5O5C19H27 (1)
Stoich.:	A2B5C5D19E27 (1)
Weight, g/mol:	356.111853
ΔH_f, kcal/mol:	-161.1
Dipole, Da:	11.9
IP(EA), eV:	-8.84(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations