Geometry & MOs

Info

ID:	237102
PubChem CID:	92717327
Reduced:	ClO4N5C18H20 (1)
Stoich.:	AB4C5D18E20 (1)
Weight, g/mol:	421.130553
ΔH_f, kcal/mol:	-115.32
Dipole, Da:	2.12
IP(EA), eV:	-9.39(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[[2-[(4-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylacetate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1OC)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

DOS

IR

Vibrations