Geometry & MOs

Info

ID:	148726
PubChem CID:	53788395
Reduced:	O3C23H36 (1)
Stoich.:	A3B23C36 (1)
Weight, g/mol:	525.320271
ΔH_f, kcal/mol:	-178.96
Dipole, Da:	2.19
IP(EA), eV:	-9.04(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[6-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2CCOC(=O)CO)CCC4=CCCC[C@]34C

DOS

IR

Vibrations