Geometry & MOs

Info

ID:	240552
PubChem CID:	93581380
Reduced:	ClNSO6C22H26 (1)
Stoich.:	ABCD6E22F26 (1)
Weight, g/mol:	476.198108
ΔH_f, kcal/mol:	-204.37
Dipole, Da:	1.06
IP(EA), eV:	-9.02(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-3-[[4-(dimethylamino)phenyl]methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-hydroxypropoxy]-3-methoxybenzaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=O)OC[C@@H](CN(CC2=CC=C(C=C2)Cl)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations