Geometry & MOs

Info

ID:	205345
PubChem CID:	80090838
Reduced:	BrClNSC16H19 (1)
Stoich.:	ABCDE16F19 (1)
Weight, g/mol:	362.00328
ΔH_f, kcal/mol:	25.35
Dipole, Da:	3.56
IP(EA), eV:	-9.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-4-chlorophenyl)carbamoyl-tert-butylamino]acetic acid

Drug info:

PubChemData

Smile

CCCNC(CC)C1=CC=C(S1)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations