Geometry & MOs

Info

ID:

141703

PubChem CID:

52918903

Reduced:

O11C48H62 (1)

Stoich.:

A11B48C62 (1)

Weight, g/mol:

611.401984

ΔHf, kcal/mol:

-402.43

Dipole, Da:

4.99

IP(EA), eV:

 -8.38(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(4S)-4-(3-aminopropylamino)-7-(diaminomethylideneamino)heptyl]-2-oxopyrimidin-4-yl]-4-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]benzamide

Drug info:

PubChemData

Smile

C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)CC12C(CC(CC1(O2)C)OC(=O)/C=C(/CC(=O)O)\C(=O)O)(C)C)/C=C/C=C(\C)/C=C=C3[C@](CC(CC3(C)C)OC(=O)C)(C)O

DOS

IR

Vibrations