Geometry & MOs

Info

ID:

178863

PubChem CID:

76392614

Reduced:

NOC2H3 (5)

Stoich.:

ABC2D3 (5)

Weight, g/mol:

1084.466722

ΔHf, kcal/mol:

-157.13

Dipole, Da:

3.12

IP(EA), eV:

 -10.09(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[14-[[1-[2-[2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]oxyethyl]-2,5-dioxopyrrolidin-3-yl]amino]tetradecylamino]-2,5-dioxopyrrolidin-1-yl]ethyl 2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate

Drug info:

PubChemData

Smile

C1C(C(OC1N2CC(C(=O)NC2=O)CO)CN=[N+]=[N-])O

DOS

IR

Vibrations