Geometry & MOs

Info

ID:	243352
PubChem CID:	99222705
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	432.183127
ΔH_f, kcal/mol:	-104.79
Dipole, Da:	2.89
IP(EA), eV:	-8.74(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]-[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@H](C)N(CC(=O)N)C(=O)C[C@H]2C(=O)NC3=CC=CC=C3S2

DOS

IR

Vibrations