Geometry & MOs

Info

ID:	234301
PubChem CID:	92298134
Reduced:	NO4C7H13 (2)
Stoich.:	AB4C7D13 (2)
Weight, g/mol:	318.017412
ΔH_f, kcal/mol:	-380.56
Dipole, Da:	4.94
IP(EA), eV:	-10.25(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3E)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxyiminopropanoate

Drug info:

PubChemData

Smile

COC(=O)NCCCCCC(=O)N[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O

DOS

IR

Vibrations