Geometry & MOs

Info

ID:	417169
PubChem CID:	135091565
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	387.172896
ΔH_f, kcal/mol:	-69.05
Dipole, Da:	5.81
IP(EA), eV:	-9.22(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)butanamide

Drug info:

PubChemData

Smile

CC(C)(C#CC1=CC=C(O1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3)O

DOS

IR

Vibrations