Geometry & MOs

Info

ID:	444534
PubChem CID:	135262753
Reduced:	O4N6C27H36 (1)
Stoich.:	A4B6C27D36 (1)
Weight, g/mol:	564.16237
ΔH_f, kcal/mol:	-119.14
Dipole, Da:	5.05
IP(EA), eV:	-8.75(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[5-[2-[[(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]indol-1-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C(=O)OC(C)(C)C)N(N=C2)C4=CC(=NC(=N4)OC)N5CC[C@H](C5)O

DOS

IR

Vibrations