Geometry & MOs

Info

ID:

422163

PubChem CID:

135117319

Reduced:

FON4C15H19 (1)

Stoich.:

ABC4D15E19 (1)

Weight, g/mol:

749.320683

ΔHf, kcal/mol:

-37.94

Dipole, Da:

2.78

IP(EA), eV:

 -8.75(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4,10,12-trimethyl-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N(C)C)NC(CO)C2=CC=C(C=C2)F

DOS

IR

Vibrations