Geometry & MOs

Info

ID:	88815
PubChem CID:	49956995
Reduced:	BrSN3O3C26H32 (1)
Stoich.:	ABC3D3E26F32 (1)
Weight, g/mol:	363.198048
ΔH_f, kcal/mol:	-95.32
Dipole, Da:	5.19
IP(EA), eV:	-8.88(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(octanoylcarbamothioylamino)-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCCCCC3

DOS

IR

Vibrations