Geometry & MOs

Info

ID:	46394
PubChem CID:	10524225
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	386.278072
ΔH_f, kcal/mol:	-76.91
Dipole, Da:	4.53
IP(EA), eV:	-8.59(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]heptanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)N(C3=C(S2)C=C(C=C3)OC)CCN(C)C)O

DOS

IR

Vibrations