Geometry & MOs

Info

ID:	183511
PubChem CID:	77033131
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	363.97286
ΔH_f, kcal/mol:	-162.73
Dipole, Da:	5.19
IP(EA), eV:	-9.05(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromothiophen-2-yl)methylcarbamoylamino]-4-methoxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCC(CCC(=O)O)CCNC(=O)C=CC1=CC=C(O1)C

DOS

IR

Vibrations