Geometry & MOs

Info

ID:	123487
PubChem CID:	50849985
Reduced:	SCl2N2O3H8C10 (1)
Stoich.:	AB2C2D3E8F10 (1)
Weight, g/mol:	411.9381
ΔH_f, kcal/mol:	-109.82
Dipole, Da:	6.75
IP(EA), eV:	-9.22(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-3,5-dichlorophenyl)-N,N-dimethyl-1,3-benzoxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC(=S)NC1=C(C=C(C=C1Cl)C(=O)O)Cl

DOS

IR

Vibrations