Geometry & MOs

Info

ID:	243805
PubChem CID:	99239738
Reduced:	BrOSN3C15H18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	405.0688
ΔH_f, kcal/mol:	31.18
Dipole, Da:	4.58
IP(EA), eV:	-9.07(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-3-(4-methylphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC=CS1)NC(=O)C2=NNC(=C2Br)C3CC3

DOS

IR

Vibrations