Geometry & MOs

Info

ID:

328253

PubChem CID:

126700390

Reduced:

O9N11C46H53 (1)

Stoich.:

A9B11C46D53 (1)

Weight, g/mol:

217.117489

ΔHf, kcal/mol:

-195.03

Dipole, Da:

10.8

IP(EA), eV:

 -7.95(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (3Z)-3-[amino-(2-amino-2-oxoethyl)amino]-3-hydrazinylidenepropanoate

Drug info:

PubChemData

Smile

CC[C@H]1[C@@H](C2=CC3=C(C(=C(N3)C=C4[C@@H]([C@H](C(=N4)C5=C6C(=C(C(=CC1=N2)N6)C)C(=O)[C@@H]5C(=O)OC)CCC(=O)NCCCC(C(=O)O)NC(=O)C7=CN8C(=N7)N=NN(C8=O)C)C)C)C(C)O)C

DOS

IR

Vibrations