Geometry & MOs

Info

ID:	236866
PubChem CID:	92715170
Reduced:	SN2O5C23H36 (1)
Stoich.:	AB2C5D23E36 (1)
Weight, g/mol:	395.161184
ΔH_f, kcal/mol:	-235.9
Dipole, Da:	9.11
IP(EA), eV:	-9.1(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)[C@@H](C)OC(=O)C2CCC(CC2)C(C)(C)C

DOS

IR

Vibrations