Geometry & MOs

Info

ID:

168472

PubChem CID:

74973979

Reduced:

S3O8N12C66H78 (1)

Stoich.:

A3B8C12D66E78 (1)

Weight, g/mol:

374.272199

ΔHf, kcal/mol:

-165.11

Dipole, Da:

19.6

IP(EA), eV:

 -7.1(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(cyclopropylmethyl)-1,13-dimethyl-N-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine

Drug info:

PubChemData

Smile

CC(CC1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CN=CC=C4)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)C(=O)NC(CC7=CC8=CC=CC=C8C=C7)C(=O)N)C9CCCS9

DOS

IR

Vibrations