Geometry & MOs

Info

ID:	237253
PubChem CID:	92718032
Reduced:	ClOSN4H23C25 (1)
Stoich.:	ABCD4E23F25 (1)
Weight, g/mol:	442.165935
ΔH_f, kcal/mol:	61.51
Dipole, Da:	9.19
IP(EA), eV:	-9.01(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations