Geometry & MOs

Info

ID:	325908
PubChem CID:	126685509
Reduced:	ClN2O4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	394.10123
ΔH_f, kcal/mol:	-167.16
Dipole, Da:	3.03
IP(EA), eV:	-9.73(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hydroxy-2-[[2-nitro-4-(prop-2-ynylcarbamoyl)phenyl]methoxycarbonyloxy]propanoate

Drug info:

PubChemData

Smile

COC(=O)[C@H](C1(CCN(CC1)C(=O)OC)C2=CC=C(C=C2)Cl)N

DOS

IR

Vibrations