Geometry & MOs

Info

ID:

398608

PubChem CID:

135034242

Reduced:

N7O9C49H67 (1)

Stoich.:

A7B9C49D67 (1)

Weight, g/mol:

326.188195

ΔHf, kcal/mol:

-367.25

Dipole, Da:

5.18

IP(EA), eV:

 -9.23(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,2S,3R)-1-[(4-methoxyphenyl)methoxy]-2-methyl-5-phenylhex-4-en-3-ol

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)N(C)C(=O)[C@H](CC4=CC=CC=C4)N

DOS

IR

Vibrations