Geometry & MOs

Info

ID:

80249

PubChem CID:

49833730

Reduced:

BN3O6C15H16 (1)

Stoich.:

AB3C6D15E16 (1)

Weight, g/mol:

760.325434

ΔHf, kcal/mol:

-273.67

Dipole, Da:

8.82

IP(EA), eV:

 -8.54(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,24S,30Z,32S,37S)-N-cyclopropylsulfonyl-5,22,36,38-tetraoxo-16-oxa-1,4,23,35,41-pentazahexacyclo[22.13.1.13,37.16,10.111,15.032,34]hentetraconta-6,8,10(41),11(40),12,14,30-heptaene-34-carboxamide

Drug info:

PubChemData

Smile

B([C@H](CC1=C(C(=CC=C1)C(=O)O)O)NC(=O)C2=CC(=CN=C2)N)(O)O

DOS

IR

Vibrations