Geometry & MOs

Info

ID:	300529
PubChem CID:	121360423
Reduced:	N3O4C13H25 (1)
Stoich.:	A3B4C13D25 (1)
Weight, g/mol:	550.255637
ΔH_f, kcal/mol:	-214.95
Dipole, Da:	1.32
IP(EA), eV:	-9.89(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-4-[[(2S)-3,3-dimethyl-1-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-4-oxobut-2-en-2-yl]phenyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)NC(=O)C(C(C(=O)N)OC)NC(=O)C(C)(C)C

DOS

IR

Vibrations