Geometry & MOs

Info

ID:	340006
PubChem CID:	127262015
Reduced:	O5N7C24H31 (1)
Stoich.:	A5B7C24D31 (1)
Weight, g/mol:	602.292677
ΔH_f, kcal/mol:	-167.29
Dipole, Da:	8.33
IP(EA), eV:	-8.61(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]-3-methyl-2-[(2-tritylsulfanylacetyl)amino]butanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N=C(N)N

DOS

IR

Vibrations