Geometry & MOs

Info

ID:

299914

PubChem CID:

117931110

Reduced:

NH43C53 (1)

Stoich.:

AB43C53 (1)

Weight, g/mol:

319.135448

ΔHf, kcal/mol:

203.21

Dipole, Da:

1.13

IP(EA), eV:

 -7.81(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[[(Z)-2-aminoethenyl]-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methylsulfanyl]-N-oxoacetamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C3=C1C=C(C=C3)C(=C)/C=C\C=C\4/CC5=CC=CC=C5C4(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC=CC=C9)C

DOS

IR

Vibrations