Geometry & MOs

Info

ID:	128020
PubChem CID:	51027042
Reduced:	NSO3C20H27 (1)
Stoich.:	ABC3D20E27 (1)
Weight, g/mol:	361.171165
ΔH_f, kcal/mol:	-125.46
Dipole, Da:	2.5
IP(EA), eV:	-8.9(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3

DOS

IR

Vibrations