Geometry & MOs

Info

ID:	219090
PubChem CID:	85090476
Reduced:	BrNSiO3C28H44 (1)
Stoich.:	ABCD3E28F44 (1)
Weight, g/mol:	550.31552
ΔH_f, kcal/mol:	-225.96
Dipole, Da:	2.18
IP(EA), eV:	-8.5(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(CCNC(=O)CBr)O)CCC4=C3C=CC(=C4)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations