Geometry & MOs

Info

ID:

161682

PubChem CID:

57392318

Reduced:

ClNO3C20H24 (1)

Stoich.:

ABC3D20E24 (1)

Weight, g/mol:

649.322397

ΔHf, kcal/mol:

-112.06

Dipole, Da:

3.03

IP(EA), eV:

 -9.18(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6R,14S,17R)-6-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-benzyl-2,5,8,16-tetraoxo-1,4,9,15-tetrazabicyclo[15.3.0]icosane-14-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)/C=C/C3=CC(=CC(=C3)O)O)C(N1O)(C)C)C.Cl

DOS

IR

Vibrations