Geometry & MOs

Info

ID:	188826
PubChem CID:	77771308
Reduced:	SN4O5C34H52 (1)
Stoich.:	AB4C5D34E52 (1)
Weight, g/mol:	411.168188
ΔH_f, kcal/mol:	-238.19
Dipole, Da:	9.61
IP(EA), eV:	-9.33(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9H-fluoren-1-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(CC2=NC=CS2)CC(=O)N(CC(=O)N(C)C)C(C)C3=CC=CC=C3)O)O

DOS

IR

Vibrations