Geometry & MOs

Info

ID:	213087
PubChem CID:	81062816
Reduced:	NO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	304.97213
ΔH_f, kcal/mol:	-174.97
Dipole, Da:	3.2
IP(EA), eV:	-9.21(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-bromothiophene-3-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations