Geometry & MOs

Info

ID:

396843

PubChem CID:

135029311

Reduced:

NOSC21H21 (2)

Stoich.:

ABCD21E21 (2)

Weight, g/mol:

636.28105

ΔHf, kcal/mol:

78.36

Dipole, Da:

1.17

IP(EA), eV:

 -8.59(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,15R)-3,16-dibenzyl-4,15-diphenyl-6,13-dioxa-21-thia-3,16-diazabicyclo[16.2.1]henicosa-1(20),18-dien-8,10-diyne

Drug info:

PubChemData

Smile

C1[C@H](N(CC2=CC=C(S2)CN([C@@H](COCC3=CC=C(S3)CO1)C4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations