Geometry & MOs

Info

ID:	83631
PubChem CID:	49859370
Reduced:	BrN4O7C23H25 (1)
Stoich.:	AB4C7D23E25 (1)
Weight, g/mol:	269.089937
ΔH_f, kcal/mol:	-252.8
Dipole, Da:	3.94
IP(EA), eV:	-8.85(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(R)-furan-2-yl-(methoxycarbonylamino)methyl]-3-oxobutanoate

Drug info:

PubChemData

Smile

CN1[C@H]2C(=C(N=C3[C@@]2(C[C@H](N3C(=O)NCCBr)C(=O)OC)C4=CC=CC=C41)C(=O)OC)C(=O)OC

DOS

IR

Vibrations