Geometry & MOs

Info

ID:

441677

PubChem CID:

135240055

Reduced:

SO3N7H19C21 (1)

Stoich.:

AB3C7D19E21 (1)

Weight, g/mol:

819.276146

ΔHf, kcal/mol:

-3.58

Dipole, Da:

4.05

IP(EA), eV:

 -8.91(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]-N-[3-[2-[2-[3-(2,4-dinitroanilino)propoxy]ethoxy]ethoxy]propyl]benzamide

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC(N2C(=O)C(=C1)NC3=C4C=C(SC4=NC=N3)C(=O)N5CC(C5)C#N)(C)C

DOS

IR

Vibrations