Geometry & MOs

Info

ID:	415885
PubChem CID:	135088887
Reduced:	ClNSO6C13H16 (1)
Stoich.:	ABCD6E13F16 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-245.25
Dipole, Da:	8.61
IP(EA), eV:	-9.73(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-(4-oxoquinazolin-3-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[C@H]([C@H](C2)C(=O)O)O)Cl

DOS

IR

Vibrations