Geometry & MOs

Info

ID:	214370
PubChem CID:	84981713
Reduced:	BrOSN3C17H26 (1)
Stoich.:	ABCD3E17F26 (1)
Weight, g/mol:	343.15299
ΔH_f, kcal/mol:	-29.59
Dipole, Da:	7.1
IP(EA), eV:	-8.59(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-difluorobenzoyl)amino]-3-(2-methylheptyl)thiourea

Drug info:

PubChemData

Smile

CCCCCC(C)CNC(=S)NNC(=O)CC1=CC=C(C=C1)Br

DOS

IR

Vibrations