Geometry & MOs

Info

ID:	203332
PubChem CID:	79814344
Reduced:	BrNSO3C15H20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	215.163377
ΔH_f, kcal/mol:	-134.39
Dipole, Da:	6.99
IP(EA), eV:	-9.38(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-ethylbutanamide

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)O)NC(=O)CSC1=C(C=C(C=C1)Br)C

DOS

IR

Vibrations