Geometry & MOs

Info

ID:	188789
PubChem CID:	77766183
Reduced:	IO2N5C25H46 (1)
Stoich.:	AB2C5D25E46 (1)
Weight, g/mol:	521.23733
ΔH_f, kcal/mol:	-101.76
Dipole, Da:	4.93
IP(EA), eV:	-8.94(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-acetyloxy-4-amino-2-[3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]-5-(4-methoxyphenyl)-3-oxopentanoate

Drug info:

PubChemData

Smile

CC12CCC(CC1CCC3C2CCC4(C3(CCC4C=NN(CCN(C)C)C(=N)N)O)C)O.I

DOS

IR

Vibrations