Geometry & MOs

Info

ID:	430616
PubChem CID:	135170682
Reduced:	S2O5N7H29C39 (1)
Stoich.:	A2B5C7D29E39 (1)
Weight, g/mol:	183.089543
ΔH_f, kcal/mol:	-6.08
Dipole, Da:	3.79
IP(EA), eV:	-8.84(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1O)N2C(=NC3=C(C2=O)SC=C3)C4=CC=C(C=C4)NC(=O)C)C5=CC(=CN=C5)C6=NC7=C(C(=O)N6C8=CN=C(C=C8)OC)SC=C7

DOS

IR

Vibrations