Geometry & MOs

Info

ID:	313062
PubChem CID:	126611536
Reduced:	SN5O7C30H49 (1)
Stoich.:	AB5C7D30E49 (1)
Weight, g/mol:	322.189257
ΔH_f, kcal/mol:	-338.94
Dipole, Da:	9.33
IP(EA), eV:	-9.21(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-5-amino-1-(4-hydroxyphenyl)-4-methyl-5-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCC(=O)OCN([C@H](C[C@H](C1=NC(=CS1)C(=O)N)OC(=O)C)C(C)C)C(=O)[C@H](C(C)CC)NC(=O)[C@H]2CCCCN2C

DOS

IR

Vibrations